1-(3-bromo-1-methylcyclopentyl)-4-cyclopropyloxybenzene

C15H19BrO — CID 114520246

IUPAC1-(3-bromo-1-methylcyclopentyl)-4-cyclopropyloxybenzene
SMILESCC1(c2ccc(OC3CC3)cc2)CCC(Br)C1
InChIInChI=1S/C15H19BrO/c1-15(9-8-12(16)10-15)11-2-4-13(5-3-11)17-14-6-7-14/h2-5,12,14H,6-10H2,1H3
InChIKeyUVRSLGLGLYBULE-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.43
Rot. Bonds3

About 1-(3-bromo-1-methylcyclopentyl)-4-cyclopropyloxybenzene

1-(3-bromo-1-methylcyclopentyl)-4-cyclopropyloxybenzene (PubChem CID 114520246) has the molecular formula C15H19BrO and a molecular weight of 295.22 g/mol. Its IUPAC name is 1-(3-bromo-1-methylcyclopentyl)-4-cyclopropyloxybenzene.

Molecular Properties

Compound Name1-(3-bromo-1-methylcyclopentyl)-4-cyclopropyloxybenzene
PubChem CID114520246
Molecular FormulaC15H19BrO
Molecular Weight295.22 g/mol
Exact Mass294.06
IUPAC Name1-(3-bromo-1-methylcyclopentyl)-4-cyclopropyloxybenzene
SMILESCC1(c2ccc(OC3CC3)cc2)CCC(Br)C1
InChIInChI=1S/C15H19BrO/c1-15(9-8-12(16)10-15)11-2-4-13(5-3-11)17-14-6-7-14/h2-5,12,14H,6-10H2,1H3
InChIKeyUVRSLGLGLYBULE-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(4-cyclopropyloxyphenyl)-3-methylcyclopentan-1-one
CID 114520131
3-(3-bromo-1-methylcyclopentyl)pyridine
CID 116540502
3-(4-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 116538662
1-bromo-4-cyclopropyloxybenzene
CID 50998694
1-cyclopropyloxy-4-[2-(4-cyclopropyloxyphenyl)propan-2-yl]benzene
CID 175031556
2-(4-cyclopentyloxyphenyl)-2-methylpyrrolidine
CID 117366157
1-(3-bromo-1-methylcyclopentyl)-2-chlorobenzene
CID 116540616
2-(3-bromo-1-methylcyclopentyl)-5-chlorothiophene
CID 116540633
3-(4-cyclopropyloxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 114520531
1-(4-cyclopentyloxyphenyl)cyclopentan-1-amine
CID 82294898
4-(4-bromophenoxy)-2,2,6,6-tetramethylpiperidine
CID 141093726
3-(4-cyclopropyloxyphenyl)-3-fluoroazetidine
CID 114520528

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-1-methylcyclopentyl)-4-cyclopropyloxybenzene?
The IUPAC name of 1-(3-bromo-1-methylcyclopentyl)-4-cyclopropyloxybenzene (CID 114520246) is 1-(3-bromo-1-methylcyclopentyl)-4-cyclopropyloxybenzene.
What is the SMILES notation for 1-(3-bromo-1-methylcyclopentyl)-4-cyclopropyloxybenzene?
The canonical SMILES for 1-(3-bromo-1-methylcyclopentyl)-4-cyclopropyloxybenzene is CC1(c2ccc(OC3CC3)cc2)CCC(Br)C1.
What is the InChIKey of 1-(3-bromo-1-methylcyclopentyl)-4-cyclopropyloxybenzene?
The InChIKey is UVRSLGLGLYBULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO/c1-15(9-8-12(16)10-15)11-2-4-13(5-3-11)17-14-6-7-14/h2-5,12,14H,6-10H2,1H3.
What are the key properties of 1-(3-bromo-1-methylcyclopentyl)-4-cyclopropyloxybenzene?
1-(3-bromo-1-methylcyclopentyl)-4-cyclopropyloxybenzene has a molecular weight of 295.22 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-1-methylcyclopentyl)-4-cyclopropyloxybenzene is sourced from PubChem (CID 114520246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).